Geometry & MOs

Info

ID:

168927

PubChem CID:

75041569

Reduced:

P3N6O13C17H33 (1)

Stoich.:

A3B6C13D17E33 (1)

Weight, g/mol:

1187.46713

ΔHf, kcal/mol:

-680.01

Dipole, Da:

11.8

IP(EA), eV:

 -8.89(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-9-[5-[[[[[[5-(2-amino-6-oxo-2,3,4,5-tetrahydro-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]methyl-hydroxyphosphoryl]oxymethyl]-3,4-dihydroxyoxolan-2-yl]-7-methylpurin-9-ium-6-olate;N,N-diethylethanamine

Drug info:

PubChemData

Smile

CCN(CC)CC.C1=NC2C(=NC(=NC2=O)N)N1C3C(C(C(O3)COP(=O)(CP(=O)(O)OP(=O)(O)O)O)O)O

DOS

IR

Vibrations